Common name
(2S)-3-methyl-2-phenylbutan-2-ol
IUPAC name
(2S)-3-methyl-2-phenylbutan-2-ol
SMILES
c1(ccccc1)[C@](C)(C(C)C)O
Common name
(2S)-3-methyl-2-phenylbutan-2-ol
IUPAC name
(2S)-3-methyl-2-phenylbutan-2-ol
SMILES
c1(ccccc1)[C@](C)(C(C)C)O
INCHI
InChI=1S/C11H16O/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-9,12H,1-3H3/t11-/m0/s1
FORMULA
C11H16O
Common name
(2S)-3-methyl-2-phenylbutan-2-ol
IUPAC name
(2S)-3-methyl-2-phenylbutan-2-ol
Molecular weight
164.244
clogP
2.557
clogS
-2.315
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03066 | ipfentrifluconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ohk_ligand_2_7.mol2 | 4ohk | 1 | -6.96 | CC[C@@H](O)c1ccccc1 | 10 |
| 3chs_ligand_2_27.mol2 | 3chs | 0.821429 | -7.46 | c1(ccccc1)[C@H](O)C | 9 |
| 2bys_ligand_2_14.mol2 | 2bys | 0.821429 | -7.28 | C[C@@H](O)c1ccccc1 | 9 |
| 2y56_ligand_2_5.mol2 | 2y56 | 0.821429 | -6.93 | C[C@H](O)c1ccccc1 | 9 |
| 4ly9_ligand_frag_4.mol2 | 4ly9 | 0.821429 | -6.85 | c1ccc(cc1)[C@H](O)C | 9 |
| 4op2_ligand_frag_3.mol2 | 4op2 | 0.821429 | -6.85 | c1ccc(cc1)[C@@H](O)C | 9 |
| 4mm8_ligand_3_16.mol2 | 4mm8 | 0.821429 | -6.75 | c1(ccccc1)[C@@H](C)O | 9 |
321 ,
33
